REMARK Name = BDB027440 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.207 0.892 0.539 0.00 0.00 +0.053 A ATOM 2 C LIG 1 -1.133 0.194 -0.249 0.00 0.00 -0.003 A ATOM 3 C LIG 1 -2.268 0.875 -0.730 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.460 2.223 -0.431 0.00 0.00 +0.071 A ATOM 5 N LIG 1 -1.559 2.917 0.301 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 -0.482 2.243 0.770 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -3.639 2.985 -0.892 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -3.520 4.344 -1.246 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -4.623 5.080 -1.689 0.00 0.00 +0.039 A ATOM 10 C LIG 1 -5.863 4.465 -1.776 0.00 0.00 +0.123 A ATOM 11 F LIG 1 -6.921 5.168 -2.200 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -6.022 3.132 -1.425 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -4.917 2.397 -0.983 0.00 0.00 +0.013 A ENDBRANCH 4 7 BRANCH 1 16 ATOM 14 C LIG 1 3.437 -0.092 0.820 0.00 0.00 +0.075 C ATOM 15 C LIG 1 2.125 0.447 0.161 0.00 0.00 +0.133 C ATOM 16 N LIG 1 0.935 0.245 1.031 0.00 0.00 -0.326 N ATOM 17 C LIG 1 1.172 0.353 2.485 0.00 0.00 +0.105 C ATOM 18 C LIG 1 2.405 1.193 2.803 0.00 0.00 +0.021 C ATOM 19 C LIG 1 3.688 0.658 2.154 0.00 0.00 +0.031 C BRANCH 14 23 ATOM 20 C LIG 1 6.957 -2.220 -1.857 0.00 0.00 +0.065 C ATOM 21 C LIG 1 6.283 -0.951 -1.431 0.00 0.00 +0.039 A ATOM 22 N LIG 1 5.245 -1.058 -0.567 0.00 0.00 -0.255 NA ATOM 23 C LIG 1 4.616 0.080 -0.157 0.00 0.00 +0.063 A ATOM 24 C LIG 1 5.014 1.337 -0.612 0.00 0.00 +0.025 A ATOM 25 C LIG 1 6.080 1.430 -1.501 0.00 0.00 +0.004 A ATOM 26 C LIG 1 6.726 0.272 -1.918 0.00 0.00 +0.023 A ENDBRANCH 14 23 BRANCH 14 27 ATOM 27 N LIG 1 3.268 -1.540 1.167 0.00 0.00 -0.319 NA ATOM 28 H LIG 1 3.048 -2.024 0.295 0.00 0.00 +0.119 HD ATOM 29 H LIG 1 4.207 -1.890 1.379 0.00 0.00 +0.119 HD ENDBRANCH 14 27 ENDBRANCH 1 16 BRANCH 2 30 ATOM 30 C LIG 1 -0.970 -1.276 -0.552 0.00 0.00 +0.160 C BRANCH 30 31 ATOM 31 N LIG 1 -1.847 -2.087 0.276 0.00 0.00 -0.325 N ATOM 32 C LIG 1 -3.037 -2.669 -0.095 0.00 0.00 +0.074 A ATOM 33 C LIG 1 -3.468 -3.326 1.058 0.00 0.00 +0.128 A ATOM 34 C LIG 1 -4.696 -4.028 1.037 0.00 0.00 +0.144 A ATOM 35 N LIG 1 -5.412 -4.075 -0.114 0.00 0.00 -0.238 NA ATOM 36 C LIG 1 -4.952 -3.426 -1.209 0.00 0.00 +0.115 A ATOM 37 N LIG 1 -2.547 -3.180 2.079 0.00 0.00 -0.232 NA ATOM 38 C LIG 1 -3.772 -2.696 -1.278 0.00 0.00 +0.048 A ATOM 39 C LIG 1 -1.589 -2.438 1.573 0.00 0.00 +0.200 A BRANCH 34 40 ATOM 40 N LIG 1 -5.196 -4.707 2.142 0.00 0.00 -0.341 N ATOM 41 H LIG 1 -5.822 -5.449 1.861 0.00 0.00 +0.144 HD ATOM 42 H LIG 1 -4.471 -4.927 2.817 0.00 0.00 +0.144 HD ENDBRANCH 34 40 ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 7